2-Methyl-4-(bromomethyl)pyridine - CAS 1167055-68-6

Catalog:	BB075939
Product Name:	2-Methyl-4-(bromomethyl)pyridine
CAS:	1167055-68-6
Synonyms:	4-(Bromomethyl)-2-methylpyridine

Technical Data

IUPAC Name:	4-(bromomethyl)-2-methylpyridine
Description:	2-Methyl-4-(bromomethyl)pyridine is used as a reagent in the synthesis of propargyl pyridinyl ethers which are potential cytochrome P450 inhibitors. It is also used in the preparation of 4-azaindole derivatives which are muscarinic M1 receptor modulators that can be used in treatment of cognitive deficits.
Molecular Weight:	186.05
Molecular Formula:	C7H8BrN
Canonical SMILES:	CC1=NC=CC(=C1)CBr
InChI:	InChI=1S/C7H8BrN/c1-6-4-7(5-8)2-3-9-6/h2-4H,5H2,1H3
InChI Key:	MVVGGQWHXOPXRQ-UHFFFAOYSA-N
References:	Foroozesh, M., et al. J. Undergrad. Chem. Res.,12, 92 (2013); Payne, A., et al. Preparation of 4-azaindole derivatives as muscarinic M1 receptor modulators for treatment of cognitive deficits, US Patent 20150094328, Apr 2, 2015.

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.98401
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.98401
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8